Geometry & MOs

Info

ID:	142395
PubChem CID:	53029131
Reduced:	O3F4N4C24H24 (1)
Stoich.:	A3B4C4D24E24 (1)
Weight, g/mol:	496.212198
ΔH_f, kcal/mol:	-274.82
Dipole, Da:	8.21
IP(EA), eV:	-9.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCN(C(=O)C2=O)CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations